| Abstract
| - This letter considers several physical arguments about contributions to hydrophobic hydration of inert gases,constructs default models to test them within information theories, and gives information theory predictionsusing those default models with moment information drawn from simulation of liquid water. Tested physicalfeatures include packing or steric effects, the role of attractive forces that lower the solvent pressure, and theroughly tetrahedral coordination of water molecules in liquid water. Packing effects (hard-sphere defaultmodel) and packing effects plus attractive forces (Lennard-Jones default model) are ineffective in improvingthe prediction of hydrophobic hydration free energies of inert gases over the previously used flat defaultmodel. However, a conceptually simple cluster Poisson model that incorporates tetrahedral coordination structurein the default model is effective for these predictions. These results provide a partial rationalization of theremarkable performance of the flat default model with two moments in previous applications. The clusterPoisson default model thus will be the subject of further refinement.
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